10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one

C28H24N2O — CID 155519172

IUPAC10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one
SMILESCc1cc(CC2(Cc3ccnc(C)c3)c3ccccc3C(=O)c3ccccc32)ccn1
InChIInChI=1S/C28H24N2O/c1-19-15-21(11-13-29-19)17-28(18-22-12-14-30-20(2)16-22)25-9-5-3-7-23(25)27(31)24-8-4-6-10-26(24)28/h3-16H,17-18H2,1-2H3
InChIKeyKUOSIWYWLWAFMD-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.41
Rot. Bonds4

About 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one

10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one (PubChem CID 155519172) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one
PubChem CID155519172
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one
SMILESCc1cc(CC2(Cc3ccnc(C)c3)c3ccccc3C(=O)c3ccccc32)ccn1
InChIInChI=1S/C28H24N2O/c1-19-15-21(11-13-29-19)17-28(18-22-12-14-30-20(2)16-22)25-9-5-3-7-23(25)27(31)24-8-4-6-10-26(24)28/h3-16H,17-18H2,1-2H3
InChIKeyKUOSIWYWLWAFMD-UHFFFAOYSA-N
XLogP5.41
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one?
The IUPAC name of 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one (CID 155519172) is 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one.
What is the SMILES notation for 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one?
The canonical SMILES for 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one is Cc1cc(CC2(Cc3ccnc(C)c3)c3ccccc3C(=O)c3ccccc32)ccn1.
What is the InChIKey of 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one?
The InChIKey is KUOSIWYWLWAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-19-15-21(11-13-29-19)17-28(18-22-12-14-30-20(2)16-22)25-9-5-3-7-23(25)27(31)24-8-4-6-10-26(24)28/h3-16H,17-18H2,1-2H3.
What are the key properties of 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one?
10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one has a molecular weight of 404.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis[(2-methyl-4-pyridinyl)methyl]anthracen-9-one is sourced from PubChem (CID 155519172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).